1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile

C17H28N2O — CID 79625528

IUPAC1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile
SMILESCC1CCCC(OC2CCCC(C#N)(NC3CC3)C2)C1
InChIInChI=1S/C17H28N2O/c1-13-4-2-5-15(10-13)20-16-6-3-9-17(11-16,12-18)19-14-7-8-14/h13-16,19H,2-11H2,1H3
InChIKeyCOYGNLJORUJZIQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.54
Rot. Bonds4

About 1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile

1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile (PubChem CID 79625528) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile
PubChem CID79625528
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile
SMILESCC1CCCC(OC2CCCC(C#N)(NC3CC3)C2)C1
InChIInChI=1S/C17H28N2O/c1-13-4-2-5-15(10-13)20-16-6-3-9-17(11-16,12-18)19-14-7-8-14/h13-16,19H,2-11H2,1H3
InChIKeyCOYGNLJORUJZIQ-UHFFFAOYSA-N
XLogP3.54
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile
CID 79625232
1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile
CID 79650149
3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79636159
1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile
CID 79625448
1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexane-1-carbonitrile
CID 79637002
1-(ethylamino)-3-(3,3,5-trimethylcyclohexyl)oxycyclohexane-1-carbonitrile
CID 79627570
1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile
CID 104564891
1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625352
1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile
CID 82956736
1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile
CID 79625966
1-(cyclopropylamino)-3-(2,3-dimethylphenoxy)cyclohexane-1-carbonitrile
CID 79626720
1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexane-1-carbonitrile
CID 79636998

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile (CID 79625528) is 1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile is CC1CCCC(OC2CCCC(C#N)(NC3CC3)C2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile?
The InChIKey is COYGNLJORUJZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-4-2-5-15(10-13)20-16-6-3-9-17(11-16,12-18)19-14-7-8-14/h13-16,19H,2-11H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile?
1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile has a molecular weight of 276.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile is sourced from PubChem (CID 79625528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).